2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine

C13H26N2O — CID 103068847

IUPAC2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)CN1CC(C)OC(C)C1
InChIInChI=1S/C13H26N2O/c1-5-6-14-7-11(2)8-15-9-12(3)16-13(4)10-15/h12-14H,2,5-10H2,1,3-4H3
InChIKeyHDCPEGXBOXWWSK-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.65
Rot. Bonds6

About 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine

2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine (PubChem CID 103068847) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine
PubChem CID103068847
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)CN1CC(C)OC(C)C1
InChIInChI=1S/C13H26N2O/c1-5-6-14-7-11(2)8-15-9-12(3)16-13(4)10-15/h12-14H,2,5-10H2,1,3-4H3
InChIKeyHDCPEGXBOXWWSK-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine
CID 103068925
1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-3-ol
CID 103070392
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]propan-1-amine
CID 53215720
N-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103071251
1-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)ethanone
CID 60687539
2-(1,4-oxazepan-4-ylmethyl)-N-propylprop-2-en-1-amine
CID 103070419
2-[(4-methylsulfanylazepan-1-yl)methyl]-N-propylprop-2-en-1-amine
CID 114237800
N-[[5-[(2,6-dimethylmorpholin-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 55070310
4-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidin-4-ol
CID 103071087
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylprop-2-en-1-amine
CID 106588399
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-N-propylpropan-1-amine
CID 104960024
N-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-3-carboxamide
CID 103197898

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine?
The IUPAC name of 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine (CID 103068847) is 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine is C=C(CNCCC)CN1CC(C)OC(C)C1.
What is the InChIKey of 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine?
The InChIKey is HDCPEGXBOXWWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-6-14-7-11(2)8-15-9-12(3)16-13(4)10-15/h12-14H,2,5-10H2,1,3-4H3.
What are the key properties of 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine?
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine is sourced from PubChem (CID 103068847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).